Chemical Properties of 2,2,2-trifluoro-N-(hydroxymethyl)acetamide (CAS 50667-69-1)

2,2,2-trifluoro-N-(hydroxymethyl)acetamide

InChI
InChI=1S/C3H4F3NO2/c4-3(5,6)2(9)7-1-8/h8H,1H2,(H,7,9)
InChI Key
URUWXKFAEKTWKG-UHFFFAOYSA-N
Formula
C3H4F3NO2
SMILES
O=C(NCO)C(F)(F)F
Molecular Weight1
143.06
CAS
50667-69-1
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.5833 Relay (1.0) Calculated Property
ΔfH°gas -997.41 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.14 kJ/mol Joback Calculated Property
ΔvapH° 62.65 kJ/mol Relay (1.0) Calculated Property
IE 10.67 eV Relay (1.0) Calculated Property
logPoct/wat -0.385 Crippen Calculated Property
McVol 75.860 ml/mol McGowan Calculated Property
Pc 4730.11 kPa Joback Calculated Property
Tboil 428.19 K Relay (1.0) Calculated Property
Tc 574.47 K Relay (1.0) Calculated Property
Vc 0.269 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [173.09; 203.71] J/mol×K [459.04; 622.61] Show Hide
Cp,gas 173.09 J/mol×K 459.04 Joback Calculated Property
Cp,gas 179.03 J/mol×K 486.30 Joback Calculated Property
Cp,gas 184.62 J/mol×K 513.56 Joback Calculated Property
Cp,gas 189.86 J/mol×K 540.83 Joback Calculated Property
Cp,gas 194.79 J/mol×K 568.09 Joback Calculated Property
Cp,gas 199.40 J/mol×K 595.35 Joback Calculated Property
Cp,gas 203.71 J/mol×K 622.61 Joback Calculated Property

Similar Compounds

Acetamide, 2,2,2-trifluoro-N-methyl-. N-Trifluoroacetyl glycine. Glycine, N-(trifluoroacetyl)-, methyl ester. 1,3-Bis(hydroxymethyl)urea. Urea, 3-(hydroxymethyl)-1,1-dimethyl-. Ethanolamine, N,O-bis(trifluoroacetyl)-. Glycine, N-(trifluoroacetyl)-, trimethylsilyl ester. Carbamic acid, (hydroxymethyl)-,methyl ester. N-Hydroxymethyl-2-phenylacetamide. Acetamide, N-butyl-2,2,2-trifluoro-. 2,2,2-Trifluoro-N-[[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]methyl]acetamide. Acetamide, n-(2,2,2-trichloro-1-hydroxyethyl)-. Acetamide, 2,2,2-trifluoro-N-(phenylmethyl)-. tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate. Glycine, N-trifluoroacetyl-, isopropyl ester.

Find more compounds similar to 2,2,2-trifluoro-N-(hydroxymethyl)acetamide.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.